[(Z)-[amino-(3-amino-2-methylphenyl)methylidene]amino] 3-(5-methylpyrazol-1-yl)propanoate

C15H19N5O2 — CID 19294025

IUPAC[(Z)-[amino-(3-amino-2-methylphenyl)methylidene]amino] 3-(5-methylpyrazol-1-yl)propanoate
SMILESCc1c(N)cccc1/C(N)=N/OC(=O)CCn1nccc1C
InChIInChI=1S/C15H19N5O2/c1-10-6-8-18-20(10)9-7-14(21)22-19-15(17)12-4-3-5-13(16)11(12)2/h3-6,8H,7,9,16H2,1-2H3,(H2,17,19)
InChIKeyBYUQRHMUUUPFPY-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.34
Rot. Bonds5

About [(Z)-[amino-(3-amino-2-methylphenyl)methylidene]amino] 3-(5-methylpyrazol-1-yl)propanoate

[(Z)-[amino-(3-amino-2-methylphenyl)methylidene]amino] 3-(5-methylpyrazol-1-yl)propanoate (PubChem CID 19294025) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is [(Z)-[amino-(3-amino-2-methylphenyl)methylidene]amino] 3-(5-methylpyrazol-1-yl)propanoate.

Molecular Properties

Compound Name[(Z)-[amino-(3-amino-2-methylphenyl)methylidene]amino] 3-(5-methylpyrazol-1-yl)propanoate
PubChem CID19294025
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name[(Z)-[amino-(3-amino-2-methylphenyl)methylidene]amino] 3-(5-methylpyrazol-1-yl)propanoate
SMILESCc1c(N)cccc1/C(N)=N/OC(=O)CCn1nccc1C
InChIInChI=1S/C15H19N5O2/c1-10-6-8-18-20(10)9-7-14(21)22-19-15(17)12-4-3-5-13(16)11(12)2/h3-6,8H,7,9,16H2,1-2H3,(H2,17,19)
InChIKeyBYUQRHMUUUPFPY-UHFFFAOYSA-N
XLogP1.34
TPSA108.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethylphenyl)-3-pyrazol-1-ylpropanamide
CID 16026414
N-(2,5-dimethylphenyl)-3-(3-methyl-1H-pyrazol-1-yl)propanamide
CID 19555816
N,2,2-trimethyl-3-[[2-(2-methylpyrazol-3-yl)phenyl]methylamino]propanamide
CID 122158029
(2S)-N,2-dimethyl-3-[methyl-[[2-(2-methylpyrazol-3-yl)phenyl]methyl]amino]propanamide
CID 124294039
2-Methyl-3-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylamino]benzenecarboximidamide
CID 177768083
[(Z)-[amino(phenyl)methylidene]amino] 3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoate
CID 19290047
[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 2-(3-methylpyrazol-1-yl)acetate
CID 19291822
[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 3-(3,5-dimethylpyrazol-1-yl)propanoate
CID 19291852
[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 3-(4-bromo-3-methylpyrazol-1-yl)propanoate
CID 19291876
[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoate
CID 19291884
[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 3-(5-methylpyrazol-1-yl)propanoate
CID 19291891
[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 2-(5-methylpyrazol-1-yl)acetate
CID 19291892

Frequently Asked Questions

What is the IUPAC name of [(Z)-[amino-(3-amino-2-methylphenyl)methylidene]amino] 3-(5-methylpyrazol-1-yl)propanoate?
The IUPAC name of [(Z)-[amino-(3-amino-2-methylphenyl)methylidene]amino] 3-(5-methylpyrazol-1-yl)propanoate (CID 19294025) is [(Z)-[amino-(3-amino-2-methylphenyl)methylidene]amino] 3-(5-methylpyrazol-1-yl)propanoate.
What is the SMILES notation for [(Z)-[amino-(3-amino-2-methylphenyl)methylidene]amino] 3-(5-methylpyrazol-1-yl)propanoate?
The canonical SMILES for [(Z)-[amino-(3-amino-2-methylphenyl)methylidene]amino] 3-(5-methylpyrazol-1-yl)propanoate is Cc1c(N)cccc1/C(N)=N/OC(=O)CCn1nccc1C.
What is the InChIKey of [(Z)-[amino-(3-amino-2-methylphenyl)methylidene]amino] 3-(5-methylpyrazol-1-yl)propanoate?
The InChIKey is BYUQRHMUUUPFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-10-6-8-18-20(10)9-7-14(21)22-19-15(17)12-4-3-5-13(16)11(12)2/h3-6,8H,7,9,16H2,1-2H3,(H2,17,19).
What are the key properties of [(Z)-[amino-(3-amino-2-methylphenyl)methylidene]amino] 3-(5-methylpyrazol-1-yl)propanoate?
[(Z)-[amino-(3-amino-2-methylphenyl)methylidene]amino] 3-(5-methylpyrazol-1-yl)propanoate has a molecular weight of 301.35 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[amino-(3-amino-2-methylphenyl)methylidene]amino] 3-(5-methylpyrazol-1-yl)propanoate is sourced from PubChem (CID 19294025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).